Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.49 |
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2074255 | 0.91 | CTSC (0.60) | CTSCCTSKKCNH2 | |
| SCHEMBL2074256 | 0.91 | CTSC (0.60) | CTSCCTSKKCNH2 | |
| SCHEMBL8041807 | 0.88 | CTSC (0.52) | CTSCCTSKKCNH2 | |
| SCHEMBL8037320 | 0.87 | CTSC (0.43) | CTSCCTSKKCNH2 | |
| SCHEMBL7858085 | 0.85 | CTSC (0.55) | CTSCCTSKKCNH2 | |
| SCHEMBL2072367 | 0.84 | CTSC (0.47) | CTSCCTSKKCNH2 | |
| SCHEMBL2072370 | 0.84 | CTSC (0.47) | CTSCCTSKKCNH2 | |
| SCHEMBL8041661 | 0.84 | CTSC (0.43) | CTSCCTSKKCNH2 | |
| SCHEMBL2073295 | 0.83 | CTSC (0.55) | CTSCCTSKKCNH2 | |
| SCHEMBL2073293 | 0.83 | CTSC (0.55) | CTSCCTSKKCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | disclosed |